tert-butyl 4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]-4-phenylazanyl-piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methylcarbamoyl]-4-phenylazanyl-piperidine-1-carboxylate Openeye Name: tert-butyl 4-anilino-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-anilino-4-[oxo-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methylamino]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-anilino-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-anilino-4-[[4-(2-ketopyrrolidino)benzyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)NCC2=CC=C(C=C2)N3CCCC3=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H36N4O4/c1-27(2,3)36-26(35)31-18-15-28(16-19-31,30-22-8-5-4-6-9-22)25(34)29-20-21-11-13-23(14-12-21)32-17-7-10-24(32)33/h4-6,8-9,11-14,30H,7,10,15-20H2,1-3H3,(H,29,34)